Try beta.chemspider
Methyl 3-[3-methoxy-3-oxo-2-(5,6,7,8-tetrahydro-2-naphthalenylmethyl)propyl]-5,6,7,8-tetrahydro-2-naphthalenecarboxylate
COC(=O)c1cc2c(cc1CC(Cc3ccc4c(c3)CCCC4)C(=O)OC)CCCC2
InChI=1S/C27H32O4/c1-30-26(28)24(14-18-11-12-19-7-3-4-8-20(19)13-18)16-23-15-21-9-5-6-10-22(21)17-25(23)27(29)31-2/h11-13,15,17,24H,3-10,14,16H2,1-2H3
OILATIFACRLTIN-UHFFFAOYSA-N
CSID:341743, http://www.chemspider.com/Chemical-Structure.341743.html (accessed 08:16, May 2, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 8.31 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 481.65 (Adapted Stein & Brown method) Melting Pt (deg C): 182.82 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.8E-009 (Modified Grain method) Subcooled liquid VP: 7.96E-008 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.0001809 log Kow used: 8.31 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0017315 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.04E-007 atm-m3/mole Group Method: 1.44E-011 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 5.506E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.31 (KowWin est) Log Kaw used: -4.906 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.216 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0597 Biowin2 (Non-Linear Model) : 0.9990 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3257 (weeks-months) Biowin4 (Primary Survey Model) : 3.4933 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1343 Biowin6 (MITI Non-Linear Model): 0.0482 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6161 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 1.06E-005 Pa (7.96E-008 mm Hg) Log Koa (Koawin est ): 13.216 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.283 Octanol/air (Koa) model: 4.04 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.911 Mackay model : 0.958 Octanol/air (Koa) model: 0.997 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 235.3526 E-12 cm3/molecule-sec Half-Life = 0.045 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.545 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 12.658750 E-17 cm3/molecule-sec Half-Life = 0.091 Days (at 7E11 mol/cm3) Half-Life = 2.173 Hrs Fraction sorbed to airborne particulates (phi): 0.934 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6.441E+005 Log Koc: 5.809 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 7.163E-002 L/mol-sec Kb Half-Life at pH 8: 112.000 days Kb Half-Life at pH 7: 3.066 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 3.009 (BCF = 1020) log Kow used: 8.31 (estimated) Volatilization from Water: Henry LC: 1.44E-011 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 8.338E+007 hours (3.474E+006 days) Half-Life from Model Lake : 9.096E+008 hours (3.79E+007 days) Removal In Wastewater Treatment: Total removal: 94.03 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.25 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.000664 0.726 1000 Water 1.61 900 1000 Soil 39.5 1.8e+003 1000 Sediment 58.9 8.1e+003 0 Persistence Time: 4.01e+003 hr
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